1-[4-(cyclohex-3-en-1-ylmethylamino)piperidin-1-yl]-2-methoxyethanone

C15H26N2O2 — CID 43747510

IUPAC1-[4-(cyclohex-3-en-1-ylmethylamino)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(NCC2CC=CCC2)CC1
InChIInChI=1S/C15H26N2O2/c1-19-12-15(18)17-9-7-14(8-10-17)16-11-13-5-3-2-4-6-13/h2-3,13-14,16H,4-12H2,1H3
InChIKeyNZGVYRJQPPYEOE-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.57
Rot. Bonds5

About 1-[4-(cyclohex-3-en-1-ylmethylamino)piperidin-1-yl]-2-methoxyethanone

1-[4-(cyclohex-3-en-1-ylmethylamino)piperidin-1-yl]-2-methoxyethanone (PubChem CID 43747510) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[4-(cyclohex-3-en-1-ylmethylamino)piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(cyclohex-3-en-1-ylmethylamino)piperidin-1-yl]-2-methoxyethanone
PubChem CID43747510
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-[4-(cyclohex-3-en-1-ylmethylamino)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(NCC2CC=CCC2)CC1
InChIInChI=1S/C15H26N2O2/c1-19-12-15(18)17-9-7-14(8-10-17)16-11-13-5-3-2-4-6-13/h2-3,13-14,16H,4-12H2,1H3
InChIKeyNZGVYRJQPPYEOE-UHFFFAOYSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohex-3-en-1-ylmethylamino)piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(cyclohex-3-en-1-ylmethylamino)piperidin-1-yl]-2-methoxyethanone (CID 43747510) is 1-[4-(cyclohex-3-en-1-ylmethylamino)piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(cyclohex-3-en-1-ylmethylamino)piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(cyclohex-3-en-1-ylmethylamino)piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(NCC2CC=CCC2)CC1.
What is the InChIKey of 1-[4-(cyclohex-3-en-1-ylmethylamino)piperidin-1-yl]-2-methoxyethanone?
The InChIKey is NZGVYRJQPPYEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-19-12-15(18)17-9-7-14(8-10-17)16-11-13-5-3-2-4-6-13/h2-3,13-14,16H,4-12H2,1H3.
What are the key properties of 1-[4-(cyclohex-3-en-1-ylmethylamino)piperidin-1-yl]-2-methoxyethanone?
1-[4-(cyclohex-3-en-1-ylmethylamino)piperidin-1-yl]-2-methoxyethanone has a molecular weight of 266.38 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohex-3-en-1-ylmethylamino)piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 43747510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).